2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide

C21H20N4O5 — CID 121050893

IUPAC2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2)cc1
InChIInChI=1S/C21H20N4O5/c1-3-14-4-6-15(7-5-14)17-9-11-21(27)24(23-17)13-20(26)22-18-12-16(25(28)29)8-10-19(18)30-2/h4-12H,3,13H2,1-2H3,(H,22,26)
InChIKeyLBYOOAPUWIVYQU-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.03
Rot. Bonds7

About 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide

2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide (PubChem CID 121050893) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
PubChem CID121050893
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
SMILESCCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2)cc1
InChIInChI=1S/C21H20N4O5/c1-3-14-4-6-15(7-5-14)17-9-11-21(27)24(23-17)13-20(26)22-18-12-16(25(28)29)8-10-19(18)30-2/h4-12H,3,13H2,1-2H3,(H,22,26)
InChIKeyLBYOOAPUWIVYQU-UHFFFAOYSA-N
XLogP3.03
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121051622
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 121050441
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7663294
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 7663331
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)butanamide
CID 16884833
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 30935973
N-(2-cyano-4-nitrophenyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050453
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 5064821
N-(2-cyano-4-nitrophenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050749
N-(5-chloro-2-cyanophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050897
2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 7666344
N-(5-acetamido-2-methoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050271

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide (CID 121050893) is 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide is CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)n2)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
The InChIKey is LBYOOAPUWIVYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-3-14-4-6-15(7-5-14)17-9-11-21(27)24(23-17)13-20(26)22-18-12-16(25(28)29)8-10-19(18)30-2/h4-12H,3,13H2,1-2H3,(H,22,26).
What are the key properties of 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide?
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide has a molecular weight of 408.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 121050893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).